Alexandra M. Goryaeva - Publications, H-index & Citations

Alexandra M. Goryaeva

CEA

14H指数

51论文数

586被引数

收录论文 15

发表时间

Designing hybrid descriptors for improved machine learning models in atomistic materials science simulations 为原子材料科学模拟中的改进机器学习模型设计混合描述符

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2025-01-01

OAAI

Dezaphie, Alexandre; Lapointe, Clovis; Goryaeva, Alexandra M.; Creuze, Jerome; Marinica, Mihai-Cosmin

Accurate quantification of dislocation loops in complex functional alloys enabled by deep learning image analysis

SCIENTIFIC REPORTS

IF3.9

2024-10-24

OAAI

Bilyk, Thomas; Goryaeva, Alexandra. M.; Marinica, Mihai-Cosmin; Flament, Camille; Sabathier, Catherine; Leroy, Eric; Loyer-Prost, Marie; Meslin, Estelle

Neighbors Map: An efficient atomic descriptor for structural analysis 邻居图: 用于结构分析的有效原子描述符

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2024-01-01

PREAI

Allera, Arnaud; Goryaeva, Alexandra M.; Lafourcade, Paul; Maillet, Jean-Bernard; Marinica, Mihai-Cosmin

Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2023-10-01

OAAI

Lafourcade, Paul; Maillet, Jean-Bernard; Denoual, Christophe; Duval, Eleonore; Allera, Arnaud; Goryaeva, Alexandra M.; Marinica, Mihai-Cosmin

Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals

NATURE COMMUNICATIONS

IF15.7

2023-05-25

OAAI

Goryaeva, Alexandra M.; Domain, Christophe; Chartier, Alain; Dezaphie, Alexandre; Swinburne, Thomas D.; Ma, Kan; Loyer-Prost, Marie; Creuze, Jerome; Marinica, Mihai-Cosmin

Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods 用混合从头算机器学习方法计算钨中氦空位缺陷的位错结合

ACTA MATERIALIA

IF9.3

2023-04-01

OAAI

Grigorev, Petr; Goryaeva, Alexandra M.; Marinica, Mihai-Cosmin; Kermode, James R.; Swinburne, Thomas D.

Anharmonic thermo-elasticity of tungsten from accelerated Bayesian adaptive biasing force calculations with data-driven force fields

PHYSICAL REVIEW MATERIALS

IF3.4

2023-02-13

PREAI

Zhong, Anruo; Lapointe, Clovis; Goryaeva, Alexandra M.; Baima, Jacopo; Athenes, Manuel; Marinica, Mihai-Cosmin

On Sampling Minimum Energy Path

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-09-08

OAAI

Ramil, Mouad; Boudier, Caroline; Goryaeva, Alexandra M.; Marinica, Mihai-Cosmin; Maillet, Jean-Bernard

Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W 用于模拟bcc Fe和W中晶体缺陷的有效且可转移的机器学习潜力

PHYSICAL REVIEW MATERIALS

IF3.4

2021-10-21

OAAI

Goryaeva, Alexandra M.; Deres, Julien; Lapointe, Clovis; Grigorev, Petr; Swinburne, Thomas D.; Kermode, James R.; Ventelon, Lisa; Baima, Jacopo; Marinica, Mihai-Cosmin

Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores

NATURE COMMUNICATIONS

IF15.7

2020-09-17

OAAI

Goryaeva, Alexandra M.; Lapointe, Clovis; Dai, Chendi; Deres, Julien; Maillet, Jean-Bernard; Marinica, Mihai-Cosmin

Quantum de-trapping and transport of heavy defects in tungsten 钨中重缺陷的量子去俘获和输运

NATURE MATERIALS

IF38.5

2020-01-27

OAAI

Arakawa, Kazuto; Marinica, Mihai-Cosmin; Fitzgerald, Steven; Proville, Laurent; Duc Nguyen-Manh; Dudarev, Sergei L.; Ma, Pui-Wai; Swinburne, Thomas D.; Goryaeva, Alexandra M.; Yamada, Tetsuya; Amino, Takafumi; Arai, Shigeo; Yamamoto, Yuta; Higuchi, Kimitaka; Tanaka, Nobuo; Yasuda, Hidehiro; Yasuda, Tetsuya; Mori, Hirotaro

Towards better efficiency of interatomic linear machine learning potentials 提高原子间线性机器学习潜力的效率

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2019-08-01

OAAI

Goryaeva, Alexandra M.; Maillet, Jean-Bernard; Marinica, Mihai-Cosmin

Influence of an amorphous surface layer on the mechanical properties of metallic nanoparticles under compression

PHYSICAL REVIEW MATERIALS

IF3.4

2019-03-20

OAAI

Goryaeva, Alexandra M.; Fusco, Claudio; Bugnet, Matthieu; Amodeo, Jonathan